Information card for entry 7047381

Structure parameters

• Chemical name: unk
• Formula: C40 H48 Fe N2 O2 S2
• Calculated formula: C40 H48 Fe N2 O2 S2
• Title of publication: A non-innocent pincer H₃L^ONS ligand and its corresponding octahedral low-spin Fe(iii) complex formation via ligand-centric homolytic S-S bond scission.
• Authors of publication: Sarkar, Prasenjit; Mukherjee, Chandan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 38
• Pages of publication: 13337 - 13341
• a: 10.3765 ± 0.0004 Å
• b: 13.4987 ± 0.0007 Å
• c: 13.7533 ± 0.0006 Å
• α: 85.983 ± 0.004°
• β: 84.828 ± 0.003°
• γ: 82.019 ± 0.004°
• Cell volume: 1896.75 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No